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69775-54-8 | 1,8,10-Dodecatriene, (E,E)-
CAS No: 69775-54-8 Catalog No: AG005I06 MDL No:
Product Description
Catalog Number:
AG005I06
Chemical Name:
1,8,10-Dodecatriene, (E,E)-
CAS Number:
69775-54-8
Molecular Formula:
C12H20
Molecular Weight:
164.2872
IUPAC Name:
dodeca-1,8,10-triene
InChI:
InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6,8,10H,1,5,7,9,11-12H2,2H3
InChI Key:
VRMRHGHPQGXKDT-UHFFFAOYSA-N
SMILES:
C=CCCCCC/C=C/C=C/C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.157g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.292g/mol
Monoisotopic Mass:
164.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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